Dataset

Propyl Nayori.1d

This dataset contains NMR spectra obtained for the sample -Propyl Nayoridate: 2020-02-04T22:07:31.000ZisFt: falsename: Propyl Nayori/1phc0: -58.94phc1: 0type: NMR FIDDECIM: 1664aqMod: 3isFid: truetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 21nucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.00004160000000002606isComplex: trueprobeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)experiment: 1dgroupDelay: 76temperature: 298.2138spectrumSize: 65536baseFrequency: 600.13digitalFilter: 76fieldStrength: 14.095010340939984numberOfScans: 16pulseSequence: zg30spectralWidth: 20.0275882741182numberOfPoints: 49relaxationTime: 1acquisitionTime: 0.001996800000001251frequencyOffset: 3705.8020000131364originFrequency: 600.133705802pulseStrength90: 27932.96089385475experimentNumber: 1acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-02-04T22:07:31.000ZisFt: truename: Propyl Nayori/1phc0: -58.94phc1: 0type: NMR SpectrumDECIM: 1664aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 21nucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.41724142237746253isComplex: trueprobeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)experiment: 1dgroupDelay: 76temperature: 298.2138spectrumSize: 65536baseFrequency: 600.13fieldStrength: 14.095010340939984numberOfScans: 16pulseSequence: zg30spectralWidth: 20.0275882741182numberOfPoints: 49relaxationTime: 1acquisitionTime: 0.001996800000001251frequencyOffset: 3705.8020000131364originFrequency: 600.133705802pulseStrength90: 27932.96089385475experimentNumber: 1acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-02-04T23:06:35.000ZisFt: falsename: Propyl Nayori/2phc0: 57.6749phc1: 103.5561type: NMR FIDDECIM: 554.666666666667aqMod: 3isFid: truetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 20nucleus: 13Creverse: falsesolvent: CDCl3dimension: 1increment: 0.000013866666666666662isComplex: trueprobeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)experiment: 1dgroupDelay: 67.9918823242188temperature: 298.2138spectrumSize: 32768baseFrequency: 150.902809digitalFilter: 67.9918823242188fieldStrength: 14.092007892665164numberOfScans: 1024pulseSequence: zgpg30spectralWidth: 238.922571561323numberOfPoints: 18relaxationTime: 2acquisitionTime: 0.00023573333333333325frequencyOffset: 15089.09585899687originFrequency: 150.917898095859pulseStrength90: 18518.51851851852experimentNumber: 2acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-02-04T23:06:35.000ZisFt: truename: Propyl Nayori/2phc0: 57.6749phc1: 103.5561type: NMR SpectrumDECIM: 554.666666666667aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 20nucleus: 13Creverse: falsesolvent: CDCl3dimension: 1increment: 14.05426891537194isComplex: trueprobeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)experiment: 1dgroupDelay: 67.9918823242188temperature: 298.2138spectrumSize: 32768baseFrequency: 150.902809fieldStrength: 14.092007892665164numberOfScans: 1024pulseSequence: zgpg30spectralWidth: 238.922571561323numberOfPoints: 18relaxationTime: 2acquisitionTime: 0.00023573333333333325frequencyOffset: 15089.09585899687originFrequency: 150.917898095859pulseStrength90: 18518.51851851852experimentNumber: 2acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-02-04T23:06:35.000ZisFt: falsename: Propyl Nayori/3phc0: 57.6749phc1: 103.5561type: NMR FIDDECIM: 554.666666666667aqMod: 3isFid: truetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 20nucleus: 13Creverse: falsesolvent: CDCl3dimension: 1increment: 0.000013866666666666662isComplex: trueprobeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)experiment: 1dgroupDelay: 67.9918823242188temperature: 298.2138spectrumSize: 32768baseFrequency: 150.902809digitalFilter: 67.9918823242188fieldStrength: 14.092007892665164numberOfScans: 1024pulseSequence: zgpg30spectralWidth: 238.922571561323numberOfPoints: 18relaxationTime: 2acquisitionTime: 0.00023573333333333325frequencyOffset: 15089.09585899687originFrequency: 150.917898095859pulseStrength90: 18518.51851851852experimentNumber: 3acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-02-04T23:06:35.000ZisFt: truename: Propyl Nayori/3phc0: 57.6749phc1: 103.5561type: NMR SpectrumDECIM: 554.666666666667aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 20nucleus: 13Creverse: falsesolvent: CDCl3dimension: 1increment: 14.05426891537194isComplex: trueprobeName: Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO)experiment: 1dgroupDelay: 67.9918823242188temperature: 298.2138spectrumSize: 32768baseFrequency: 150.902809fieldStrength: 14.092007892665164numberOfScans: 1024pulseSequence: zgpg30spectralWidth: 238.922571561323numberOfPoints: 18relaxationTime: 2acquisitionTime: 0.00023573333333333325frequencyOffset: 15089.09585899687originFrequency: 150.917898095859pulseStrength90: 18518.51851851852experimentNumber: 3acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1

Chemical Info

InChI	InChI=1S/C33H34BrNO4/c1-2-15-37-32-18-25-13-14-35-29(27(25)19-33(32)39-22-24-11-7-4-8-12-24)16-26-17-30(36)31(20-28(26)34)38-21-23-9-5-3-6-10-23/h3-12,17-20,29,35-36H,2,13-16,21-22H2,1H3/t29-/m0/s1
SMILES	CCCOC1=C(OCC2=CC=CC=C2)C=C2C(=C1)CCN[C@H]2CC1=CC(O)=C(OCC2=CC=CC=C2)C=C1Br
InChI Key	SBLBWWJBZHEXJQ-LJAQVGFWSA-N

Data and Resources

Propyl Nayori.1dHTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p21.s172.d725
License URL
Source	https://nmrxiv.org/D725
Version
Author	Namballa HK, Dorogan M, Gudipally AR, Okafor S, Gadhiya S, Harding WW.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:01:21.394678
MetadataModified	2024-09-23T09:31:05.067633
MetadataPublished	2023-11-23 22:29:51

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : Z8654_0008 (PH QXI 600S3 H/P-C/N-D-05 Z BTO) Temperature : 298.2138 K magnetic field strength : 14.092007892665164 Tesla number of scans : 1024 scans nuclear magnetic resonance pulse sequence : zgpg30 Spectral Width : 238.922571561323 number of data points : 18 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
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